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CHEBI:217127 - Sancti C

ChEBI IDCHEBI:217127
ChEBI NameSancti C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H34O10
Net Charge0
Average Mass602.636
Monoisotopic Mass602.21520
SMILESCOC(=O)c1c(C)cc2c(c1O)[C@H]1c3c(O)cc(C)cc3O[C@@](C)(O2)[C@H]1[C@@]1(C)C=C(C)Oc2cc(C)c(C(=O)OC)c(O)c21
InChIInChI=1S/C34H34O10/c1-14-9-18(35)24-19(10-14)43-34(6)30(26(24)25-20(44-34)11-15(2)22(28(25)36)31(38)40-7)33(5)13-17(4)42-21-12-16(3)23(32(39)41-8)29(37)27(21)33/h9-13,26,30,35-37H,1-8H3/t26-,30-,33+,34+/m1/s1
InChIKeyNKCMTKBTAUBKBO-GQXWUIARSA-N
Species of MetaboliteComponentSourceComments
Parmotrema sancti-angelii (ncbitaxon:1874036) - DOI (10.1002/ejoc.201800202)
ChEBI Ontology
Outgoing Relation(s)
Sancti C (CHEBI:217127) is a benzenes (CHEBI:22712)
Sancti C (CHEBI:217127) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl (1R,9S,17R)-3,15-dihydroxy-17-[(4R)-5-hydroxy-6-methoxycarbonyl-2,4,7-trimethylchromen-4-yl]-5,9,13-trimethyl-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene-4-carboxylate